1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine

C15H19ClN2S — CID 106818049

IUPAC1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
SMILESCCc1nc(C(NC)c2ccc(C)c(Cl)c2)sc1C
InChIInChI=1S/C15H19ClN2S/c1-5-13-10(3)19-15(18-13)14(17-4)11-7-6-9(2)12(16)8-11/h6-8,14,17H,5H2,1-4H3
InChIKeyBZIRGZKLYMSGNQ-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.28
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine

1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine (PubChem CID 106818049) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
PubChem CID106818049
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
SMILESCCc1nc(C(NC)c2ccc(C)c(Cl)c2)sc1C
InChIInChI=1S/C15H19ClN2S/c1-5-13-10(3)19-15(18-13)14(17-4)11-7-6-9(2)12(16)8-11/h6-8,14,17H,5H2,1-4H3
InChIKeyBZIRGZKLYMSGNQ-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 61332131
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 61332919
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63077170
1-(3,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106531760
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63970196
N-[(4-bromo-3-methylphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480408
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine
CID 63649782
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61330942
1-(2,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61330943
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 61332174
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859194

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine (CID 106818049) is 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine is CCc1nc(C(NC)c2ccc(C)c(Cl)c2)sc1C.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The InChIKey is BZIRGZKLYMSGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-5-13-10(3)19-15(18-13)14(17-4)11-7-6-9(2)12(16)8-11/h6-8,14,17H,5H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine?
1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine has a molecular weight of 294.85 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 106818049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).